SCHEMBL2842604

SCHEMBL2842604

COc1ccccc1C(C(=O)NO)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
HIF1A Q16665 2/20 0.49
MEN1 O00255 3/20 0.47
HCRTR1 O43613 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.45
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
AKR1C3 P42330 1/20 0.44
STK10 O94804 1/20 0.43
SLK Q9H2G2 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTT P42858 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2838346 0.86 MAPT (0.45) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL4533614 0.84 ACP1 (0.45) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL4531868 0.83 HDAC4 (0.56) NPC1RAB9AHIF1A
SCHEMBL2841246 0.82 HDAC8 (0.60) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL2844453 0.81 KDM4E (0.49) MAPTKMT2ALMNAMEN1ALDH1A1
SCHEMBL8117284 0.80 HDAC4 (0.46) NPC1RAB9A
SCHEMBL4538504 0.80 HIF1A (0.47) MAPTNPC1RAB9AKMT2AHIF1A
SCHEMBL2843825 0.80 MMP2 (0.48) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL2843895 0.79 HDAC3 (0.55) MAPTNPC1RAB9AKMT2ALMNA
SCHEMBL2840930 0.79 HDAC8 (0.64) MAPTKMT2ALMNAMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
US-9096565-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2015-08-04 US disclosed
CN-101679220-A Histone deacetylase inhibitor METHYLGENE INC 2010-03-24 CN disclosed
EP-2139850-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2010-01-06 EP disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
US-20090181943-A1 Inhibitors of Histone Deacetylase METHYLGENE INC. (CA) 2009-07-16 US disclosed
WO-2008122115-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090181943-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC11, HDAC3 MAPT 1533/4885NPC1 803/4885RAB9A 2699/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.